4,5-dihydro-3H-azepin-2-amine

C6H10N2 — CID 123691446

IUPAC4,5-dihydro-3H-azepin-2-amine
SMILESNC1=NC=CCCC1
InChIInChI=1S/C6H10N2/c7-6-4-2-1-3-5-8-6/h3,5H,1-2,4H2,(H2,7,8)
InChIKeyBXORYXNPZYRPOB-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.04
Rot. Bonds

About 4,5-dihydro-3H-azepin-2-amine

4,5-dihydro-3H-azepin-2-amine (PubChem CID 123691446) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4,5-dihydro-3H-azepin-2-amine.

Molecular Properties

Compound Name4,5-dihydro-3H-azepin-2-amine
PubChem CID123691446
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4,5-dihydro-3H-azepin-2-amine
SMILESNC1=NC=CCCC1
InChIInChI=1S/C6H10N2/c7-6-4-2-1-3-5-8-6/h3,5H,1-2,4H2,(H2,7,8)
InChIKeyBXORYXNPZYRPOB-UHFFFAOYSA-N
XLogP1.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-azepin-2-amine?
The IUPAC name of 4,5-dihydro-3H-azepin-2-amine (CID 123691446) is 4,5-dihydro-3H-azepin-2-amine.
What is the SMILES notation for 4,5-dihydro-3H-azepin-2-amine?
The canonical SMILES for 4,5-dihydro-3H-azepin-2-amine is NC1=NC=CCCC1.
What is the InChIKey of 4,5-dihydro-3H-azepin-2-amine?
The InChIKey is BXORYXNPZYRPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-6-4-2-1-3-5-8-6/h3,5H,1-2,4H2,(H2,7,8).
What are the key properties of 4,5-dihydro-3H-azepin-2-amine?
4,5-dihydro-3H-azepin-2-amine has a molecular weight of 110.16 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-azepin-2-amine is sourced from PubChem (CID 123691446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).